1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one

C23H23N7O — CID 18342785

IUPAC1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
SMILESC[C@H](Nc1nccc(-n2cnc3cc(N4CCN(C)C4=O)ccc32)n1)c1ccccc1
InChIInChI=1S/C23H23N7O/c1-16(17-6-4-3-5-7-17)26-22-24-11-10-21(27-22)30-15-25-19-14-18(8-9-20(19)30)29-13-12-28(2)23(29)31/h3-11,14-16H,12-13H2,1-2H3,(H,24,26,27)/t16-/m0/s1
InChIKeyNKNYESBWIBUOCK-INIZCTEOSA-N
MW413.49 g/mol
LogP3.86
Rot. Bonds5

About 1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one

1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one (PubChem CID 18342785) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
PubChem CID18342785
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
SMILESC[C@H](Nc1nccc(-n2cnc3cc(N4CCN(C)C4=O)ccc32)n1)c1ccccc1
InChIInChI=1S/C23H23N7O/c1-16(17-6-4-3-5-7-17)26-22-24-11-10-21(27-22)30-15-25-19-14-18(8-9-20(19)30)29-13-12-28(2)23(29)31/h3-11,14-16H,12-13H2,1-2H3,(H,24,26,27)/t16-/m0/s1
InChIKeyNKNYESBWIBUOCK-INIZCTEOSA-N
XLogP3.86
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one (CID 18342785) is 1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one is C[C@H](Nc1nccc(-n2cnc3cc(N4CCN(C)C4=O)ccc32)n1)c1ccccc1.
What is the InChIKey of 1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one?
The InChIKey is NKNYESBWIBUOCK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N7O/c1-16(17-6-4-3-5-7-17)26-22-24-11-10-21(27-22)30-15-25-19-14-18(8-9-20(19)30)29-13-12-28(2)23(29)31/h3-11,14-16H,12-13H2,1-2H3,(H,24,26,27)/t16-/m0/s1.
What are the key properties of 1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one?
1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one has a molecular weight of 413.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one is sourced from PubChem (CID 18342785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).